N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide

C16H20N2O2S2 — CID 91790037

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NCCc2nc(C)c(C)s2)c1
InChIInChI=1S/C16H20N2O2S2/c1-11-12(2)22-16(18-11)7-8-17-15(19)10-21-14-6-4-5-13(9-14)20-3/h4-6,9H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyODJSZFFVEZIZMW-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 91790037) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID91790037
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NCCc2nc(C)c(C)s2)c1
InChIInChI=1S/C16H20N2O2S2/c1-11-12(2)22-16(18-11)7-8-17-15(19)10-21-14-6-4-5-13(9-14)20-3/h4-6,9H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyODJSZFFVEZIZMW-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511
2-(3-methoxyphenyl)sulfanyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide
CID 136662204
2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 35040882
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide
CID 86855573
N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
CID 39044798
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 46769228
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 51207948
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 51207979
N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040789

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide (CID 91790037) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)NCCc2nc(C)c(C)s2)c1.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is ODJSZFFVEZIZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-11-12(2)22-16(18-11)7-8-17-15(19)10-21-14-6-4-5-13(9-14)20-3/h4-6,9H,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 336.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 91790037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).